A machine learning approach for predicting the empirical polarity of organic solvents
Vaneet Saini, Ranjeet Kumar
Abstract
A neural network architecture was found to efficiently predict the empirical polarity parameter E T (30) using simple to compute and interpretable six quantum mechanical, topological and categorical descriptors.
Topics & Concepts
ChemistryPolarity (international relations)BiochemistryCellComputational Drug Discovery MethodsVarious Chemistry Research TopicsMachine Learning in Materials Science